AG001GIJ

141522-26-1 | 2-Methoxyphenylboronic acid, propanediol cyclic ester

AG001GIJ

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CAS Number	141522-26-1
Catalog Number	AG001GIJ(AGN-PC-003YHA)
Chemical Name	2-Methoxyphenylboronic acid, propanediol cyclic ester
IUPAC Name	2-(2-methoxyphenyl)-1,3,2-dioxaborinane
InChI	InChI=1S/C10H13BO3/c1-12-10-6-3-2-5-9(10)11-13-7-4-8-14-11/h2-3,5-6H,4,7-8H2,1H3
InChI Key	DMLJJKWGSAIDFF-UHFFFAOYSA-N
MDL Number	MFCD06659934
Molecular Formula	C10H13BO3
Molecular Weight	192.0194
SMILES	COC1=C(C=CC=C1)B1OCCCO1
Synonyms	141522-26-1, 2-(2-methoxyphenyl)-1,3,2-dioxaborinane, 2-Methoxybenzeneboronic acid, propanediol cyclic ester, 1,3,2-Dioxaborinane,2-(2-methoxyphenyl)-, 2-Methoxyphenylboronic acid, propanediol cyclic ester, 2-Methoxyphenylboronic acid propanediol cyclic ester, SCHEMBL7590428, CTK8B3541, DTXSID00569147, ZX-AT008276, ANW-42697, FCH921292, MFCD06659934, OR3951, AKOS004113803, ZINC169807824, RTR-005335, VZ23119, CC-05513, AX8012085, DB-015903, TR-005335, FT-0643326, X0521, 1,3,2-Dioxaborinane, 2-(2-methoxyphenyl)-, B-3441, 2-Methoxybenzeneboronic acid 1,3-propanediol ester, A807770, C-08331, I04-5932, C10H13BO3, 2- -1,3,2-DIOXABORINANE, ACN-034266,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.096g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	192.021g/mol
Monoisotopic Mass	192.096g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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